ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate

C22H20O3 — CID 139256471

IUPACethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate
SMILESCCOC(=O)Cc1oc2c(c1-c1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C22H20O3/c1-2-24-20(23)14-19-21(16-9-4-3-5-10-16)22-17-11-7-6-8-15(17)12-13-18(22)25-19/h3-11H,2,12-14H2,1H3
InChIKeyANWJVOWOJJWEBE-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.82
Rot. Bonds4

About ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate

ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate (PubChem CID 139256471) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate
PubChem CID139256471
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate
SMILESCCOC(=O)Cc1oc2c(c1-c1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C22H20O3/c1-2-24-20(23)14-19-21(16-9-4-3-5-10-16)22-17-11-7-6-8-15(17)12-13-18(22)25-19/h3-11H,2,12-14H2,1H3
InChIKeyANWJVOWOJJWEBE-UHFFFAOYSA-N
XLogP4.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate?
The IUPAC name of ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate (CID 139256471) is ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate is CCOC(=O)Cc1oc2c(c1-c1ccccc1)-c1ccccc1CC2.
What is the InChIKey of ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate?
The InChIKey is ANWJVOWOJJWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-24-20(23)14-19-21(16-9-4-3-5-10-16)22-17-11-7-6-8-15(17)12-13-18(22)25-19/h3-11H,2,12-14H2,1H3.
What are the key properties of ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate?
ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate has a molecular weight of 332.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate is sourced from PubChem (CID 139256471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).